A two day and a half training in using DL_POLY/DL_FIELD/DL_MESO and Chemshell will take place between 4 and 6th December 2019 at imperial College, White City Campus, London.

This will be a gentle introduction to the above codes with a mixture of lectures and practicals. 

 

Programme

 

4th December 

12:00-13:00 Registration/Lunch
13:00-15:00 DL_POLY 1
15:00-15:30 Coffee
15:30-17:30 DL_POLY 2

5th December

9:00-10:30 DL_POLY 3
10:30-11:00 Coffee
11:00-12:30 DL_FIELD 1
12:30-14:00 Lunch

14:00-15:30 DL_FIELD 2
15:30-16:00 Coffee
16:00-17:30 DL_MESO 1

6th December

9:00-10:30 DL_MESO 2
10:30-11:00 Coffee
11:00-12:30 ChemShell 1
12:30-14:00 Lunch

14:00-15:30 ChemShell 2
15:30-16:00 Coffee
16:00-17:30 ChemShell 3

 

Lecturers

Ilian Todorov, Daresbury Laboratory

Thomas Keal, Daresbury Laboratory

Michael Seaton, Daresbury Laboratory

Chin Yong, Daresbury Laboratory

Alin M Elena, Daresbury Laboratory

You Lu, Daresbury Laboratory

 

Organisers

Dr Clotilde Cucinotta, Imperial College London

Dr Alin Elena, Daresbury Laboratory

 

Registration

Registration is free but required. Acceptance is done on a first come first served basis. Places will be limited to 25 so register early to avoid dissapointment. 

Registration is closed. Registration deadline is 1st December 2019.

 

Venue

Room LTB10 - G23/24
Molecular Sciences Research Hub (MSRH)
Imperial College London
White City Campus
80 Wood Lane
London W12 0BZ

see map! More info about the venue here!

 

Requirements

 

Please bring your laptop with you. If you come from mainland Europe, do not forget to get a plug adaptor from 2 European pins to 3 British ones.

If your computer has Windows 10 please install bash for windows, https://docs.microsoft.com/en-us/windows/wsl/install-win10, use Ubuntu 18.04 or openSUSE Leap 15 or any other from the other distros. Once installed you shall be able to follow linux instructions.

If you have an Apple Laptop install brew or macports.

if you have Linux things shall be easier.

Please install the following applications: python3,  python3-numpy, gcc, g++, gfortran version bigger than 6, cmake, openmpi (version 2 or above), java sdk

for visuallisation install VMD and paraview.

All with the exception of VMD shall be available via your linux/bash/brew/macports package installer.

Also please be sure you have an ssh client installed. These days WIndows 10 has a native ssh client, you can also install MobaXterm, home edition.

For windows/apple you may also consider installing a linux virtual machine. you can use virtual box https://www.virtualbox.org/ 

 

 

Extra Information

For more information do not hesitate to contact Alin M Elena at alin-marin.elena@stfc.ac.uk

 

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